Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16687397 | 0.78 | IDO1 (0.36) | IDO1ALDH1A1MAOBKMT2A | |
| SCHEMBL29953243 | 0.78 | IDO1 (0.36) | IDO1ALDH1A1MAOBKMT2A | |
| SCHEMBL12874173 | 0.76 | IDO1 (0.57) | IDO1ALDH1A1KDM4EPOLBMAOB | |
| SCHEMBL28521385 | 0.76 | LIPG (0.33) | ALDH1A1KDM4EKMT2ALIPGSMN1; SMN2 | |
| SCHEMBL21937776 | 0.74 | IDO1 (0.39) | IDO1ADRA1AALDH1A1KDM4EPOLB | |
| SCHEMBL9938608 | 0.73 | TAAR1 (0.42) | IDO1MAOB | |
| SCHEMBL29952834 | 0.73 | LIPG (0.52) | IDO1ALDH1A1KDM4EPOLBKMT2A | |
| SCHEMBL12544470 | 0.73 | LIPG (0.52) | IDO1ALDH1A1KDM4EPOLBKMT2A | |
| SCHEMBL954824 | 0.72 | L3MBTL1 (0.50) | ALDH1A1POLBPKM | |
| SCHEMBL29957026 | 0.72 | L3MBTL1 (0.50) | ALDH1A1POLBPKM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112159405-B | Pyridopyrimidinone compounds and application thereof | 广州必贝特医药技术有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-112159405-A | Pyridopyrimidinone compounds and application thereof | 广州必贝特医药技术有限公司 | 2021-01-01 | — | — | CN | disclosed |